2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C30H28N4O6S — CID 5261744

About 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 5261744) has the molecular formula C30H28N4O6S and a molecular weight of 572.64 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• PubChem CID: 5261744
• Molecular Formula: C30H28N4O6S
• Molecular Weight: 572.64 g/mol
• Exact Mass: 572.17
• IUPAC Name: 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• SMILES: COc1cc(C=c2sc3n(c2=O)C(c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1OCC(N)=O
• InChI: InChI=1S/C30H28N4O6S/c1-16-7-5-6-8-20(16)33-28(36)26-18(3)32-30-34(27(26)22-11-9-17(2)40-22)29(37)24(41-30)14-19-10-12-21(23(13-19)38-4)39-15-25(31)35/h5-14,27H,15H2,1-4H3,(H2,31,35)(H,33,36)
• InChIKey: VXWSQIGLYRZNSB-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 138.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.64
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 5261744) is 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1cc(C=c2sc3n(c2=O)C(c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)ccc1OCC(N)=O.

What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is VXWSQIGLYRZNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O6S/c1-16-7-5-6-8-20(16)33-28(36)26-18(3)32-30-34(27(26)22-11-9-17(2)40-22)29(37)24(41-30)14-19-10-12-21(23(13-19)38-4)39-15-25(31)35/h5-14,27H,15H2,1-4H3,(H2,31,35)(H,33,36).

What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 572.64 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylidene]-7-methyl-5-(5-methylfuran-2-yl)-N-(2-methylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5261744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).